1,3,5-trimethyl-2-prop-1-enylbenzene

C12H16 — CID 54520603

IUPAC1,3,5-trimethyl-2-prop-1-enylbenzene
SMILESCC=Cc1c(C)cc(C)cc1C
InChIInChI=1S/C12H16/c1-5-6-12-10(3)7-9(2)8-11(12)4/h5-8H,1-4H3
InChIKeyUTTPSVLHOJHKLA-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds1

About 1,3,5-trimethyl-2-prop-1-enylbenzene

1,3,5-trimethyl-2-prop-1-enylbenzene (PubChem CID 54520603) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-prop-1-enylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-prop-1-enylbenzene
PubChem CID54520603
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,3,5-trimethyl-2-prop-1-enylbenzene
SMILESCC=Cc1c(C)cc(C)cc1C
InChIInChI=1S/C12H16/c1-5-6-12-10(3)7-9(2)8-11(12)4/h5-8H,1-4H3
InChIKeyUTTPSVLHOJHKLA-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,5-tetramethyl-4-prop-1-enylbenzene
CID 173045732
N,N-dimethyl-2-(2,4,6-trimethylphenyl)ethenamine
CID 71411650
3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 54347343
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
CID 13257451
1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
CID 155174997
2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
CID 140572424
2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 147588244
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-prop-1-enylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-prop-1-enylbenzene (CID 54520603) is 1,3,5-trimethyl-2-prop-1-enylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-prop-1-enylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-prop-1-enylbenzene is CC=Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-prop-1-enylbenzene?
The InChIKey is UTTPSVLHOJHKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-5-6-12-10(3)7-9(2)8-11(12)4/h5-8H,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-prop-1-enylbenzene?
1,3,5-trimethyl-2-prop-1-enylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-prop-1-enylbenzene is sourced from PubChem (CID 54520603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).